In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 24 | Yes |
Popular Name: 4-[(1S)-2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]phenol 4-[(1S)-2-amino-1-[4-(2,3-dimeth…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.64 | 5.38 | -49.9 | 4 | 4 | 1 | 54 | 326.464 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 6.57 | -136.44 | 5 | 4 | 2 | 56 | 327.472 | 4 | ↓ |